(2R)-N-(3-acetylphenyl)-2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide

C21H24N2O3 — CID 96998424

IUPAC(2R)-N-(3-acetylphenyl)-2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
SMILESCOc1cccc(C[C@H]2CCCN2C(=O)Nc2cccc(C(C)=O)c2)c1
InChIInChI=1S/C21H24N2O3/c1-15(24)17-7-4-8-18(14-17)22-21(25)23-11-5-9-19(23)12-16-6-3-10-20(13-16)26-2/h3-4,6-8,10,13-14,19H,5,9,11-12H2,1-2H3,(H,22,25)/t19-/m1/s1
InChIKeyRRYRSWUMOMLAJU-LJQANCHMSA-N
MW352.43 g/mol
LogP4.14
Rot. Bonds5

About (2R)-N-(3-acetylphenyl)-2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide

(2R)-N-(3-acetylphenyl)-2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide (PubChem CID 96998424) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is (2R)-N-(3-acetylphenyl)-2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(3-acetylphenyl)-2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
PubChem CID96998424
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name(2R)-N-(3-acetylphenyl)-2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
SMILESCOc1cccc(C[C@H]2CCCN2C(=O)Nc2cccc(C(C)=O)c2)c1
InChIInChI=1S/C21H24N2O3/c1-15(24)17-7-4-8-18(14-17)22-21(25)23-11-5-9-19(23)12-16-6-3-10-20(13-16)26-2/h3-4,6-8,10,13-14,19H,5,9,11-12H2,1-2H3,(H,22,25)/t19-/m1/s1
InChIKeyRRYRSWUMOMLAJU-LJQANCHMSA-N
XLogP4.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-acetamido-5-[2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]phenyl]acetamide
CID 55955262
2-(hydroxymethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 60582022
N-(3-acetylphenyl)-2-ethylpyrrolidine-1-carboxamide
CID 61345256
2-(aminomethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 63765209
N-(3-acetylphenyl)-2-(hydroxymethyl)piperidine-1-carboxamide
CID 61346659
(2S)-2-(hydroxymethyl)-N-[3-(3-methoxyphenyl)phenyl]pyrrolidine-1-carboxamide
CID 72849322
N-(3-acetylphenyl)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 55697171
2-benzyl-N-(3,5-dimethoxyphenyl)piperidine-1-carboxamide
CID 51134992
N-(3-acetylphenyl)-2-propylpiperidine-1-carboxamide
CID 83046098
(2R)-2-N-(4-acetylphenyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 51426368
2-[(3-methoxyphenyl)methyl]-N-[5-(methylsulfamoyl)-2-pyridinyl]pyrrolidine-1-carboxamide
CID 139008637
(2R)-N-cyclopropyl-2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carbothioamide
CID 97000744

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-acetylphenyl)-2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-(3-acetylphenyl)-2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide (CID 96998424) is (2R)-N-(3-acetylphenyl)-2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-(3-acetylphenyl)-2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-(3-acetylphenyl)-2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide is COc1cccc(C[C@H]2CCCN2C(=O)Nc2cccc(C(C)=O)c2)c1.
What is the InChIKey of (2R)-N-(3-acetylphenyl)-2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is RRYRSWUMOMLAJU-LJQANCHMSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-15(24)17-7-4-8-18(14-17)22-21(25)23-11-5-9-19(23)12-16-6-3-10-20(13-16)26-2/h3-4,6-8,10,13-14,19H,5,9,11-12H2,1-2H3,(H,22,25)/t19-/m1/s1.
What are the key properties of (2R)-N-(3-acetylphenyl)-2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide?
(2R)-N-(3-acetylphenyl)-2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-acetylphenyl)-2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 96998424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).